N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylaniline

C13H17N3 — CID 19619046

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylaniline
SMILESCc1ccc(NCc2cnn(C)c2C)cc1
InChIInChI=1S/C13H17N3/c1-10-4-6-13(7-5-10)14-8-12-9-15-16(3)11(12)2/h4-7,9,14H,8H2,1-3H3
InChIKeyXKZWNXQYOBOJDO-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.65
Rot. Bonds3

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylaniline

N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylaniline (PubChem CID 19619046) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylaniline.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylaniline
PubChem CID19619046
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylaniline
SMILESCc1ccc(NCc2cnn(C)c2C)cc1
InChIInChI=1S/C13H17N3/c1-10-4-6-13(7-5-10)14-8-12-9-15-16(3)11(12)2/h4-7,9,14H,8H2,1-3H3
InChIKeyXKZWNXQYOBOJDO-UHFFFAOYSA-N
XLogP2.65
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]aniline
CID 79578438
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-fluoroaniline
CID 19619060
1-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenyl]ethanone
CID 113259835
4-(difluoromethylsulfanyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]aniline
CID 79579399
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-piperidin-1-ylaniline
CID 79568946
2-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenoxy]ethanol
CID 109482346
2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzene-1,2-diamine
CID 106035268
methyl 2-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenoxy]acetate
CID 79570390
4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(2-hydroxyethyl)benzamide
CID 79569429
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxypyridin-4-amine
CID 106048244
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4-diethoxyaniline
CID 79568768
5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1-ethylpyridin-2-one
CID 79579074

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylaniline?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylaniline (CID 19619046) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylaniline.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylaniline?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylaniline is Cc1ccc(NCc2cnn(C)c2C)cc1.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylaniline?
The InChIKey is XKZWNXQYOBOJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10-4-6-13(7-5-10)14-8-12-9-15-16(3)11(12)2/h4-7,9,14H,8H2,1-3H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylaniline?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylaniline has a molecular weight of 215.30 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylaniline is sourced from PubChem (CID 19619046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).